ethyl (3S)-1-(4-phenylsulfanylbutyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-(4-phenylsulfanylbutyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-(4-phenylsulfanylbutyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[4-(phenylthio)butyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(4-phenylsulfanylbutyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[4-(phenylthio)butyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28NO2S+ MolecularWeight: 322.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCCCSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCCCSC2=CC=CC=C2

InChI

InChI=1S/C18H27NO2S/c1-2-21-18(20)16-9-8-13-19(15-16)12-6-7-14-22-17-10-4-3-5-11-17/h3-5,10-11,16H,2,6-9,12-15H2,1H3/p+1/t16-/m0/s1